SCHEMBL20547457

SCHEMBL20547457

CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccoc12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29599177 1.00 GRIN1 (0.30) GRIN1GRIN2B
SCHEMBL19299808 0.85 ALDH1A1 (0.33) —
SCHEMBL21875196 0.84 KDM4E (0.30) —
SCHEMBL18072963 0.84 ALDH1A1 (0.32) —
SCHEMBL29581048 0.84 KDM4E (0.30) —
SCHEMBL19299909 0.84 ADRB2 (0.30) —
SCHEMBL20547461 0.83 — —
SCHEMBL29599508 0.83 — —
SCHEMBL24360753 0.83 — —
SCHEMBL21875179 0.83 KCNH2 (0.33) GRIN1GRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615540-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-04-27 — — EP disclosed
EP-3615540-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-04-27 — — EP disclosed
US-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — US disclosed
US-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — US disclosed
EP-3615540-A1 CONDENSED BICYCLIC HETEROCYCLIC-COMPOUND DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2020-03-04 — — EP disclosed
WO-2018197257-A1 CONDENSED BICYCLIC HETEROCYCLIC-COMPOUND DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-11-01 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, BCHE GRIN1 316/4885GRIN2B 781/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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